SCHEMBL20186542

SCHEMBL20186542

CCN(CC)[C@@H](C)CNC(=O)c1cc(Cl)nc(NC(=O)NCCCl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 13/20 0.40
KCNH2 Q12809 3/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20186546 1.00 CAMK2D (0.40) CAMK2DKCNH2ALDH1A1CYP1A2CYP2C19
SCHEMBL20186771 0.86 CAMK2D (0.42) CAMK2DKCNH2BCHEACHE
SCHEMBL20186772 0.86 CAMK2D (0.42) CAMK2DKCNH2BCHEACHE
SCHEMBL20186846 0.85 CAMK2D (0.42) CAMK2DKCNH2
SCHEMBL20186843 0.85 CAMK2D (0.42) CAMK2DKCNH2
SCHEMBL20206888 0.83 CAMK2D (0.41) CAMK2DKCNH2
SCHEMBL20186211 0.83 CAMK2D (0.41) CAMK2DKCNH2BCHEACHE
SCHEMBL20186214 0.83 CAMK2D (0.41) CAMK2DKCNH2BCHEACHE
SCHEMBL20206873 0.78 CAMK2D (0.41) CAMK2DKCNH2BCHEACHE
SCHEMBL20207018 0.77 CAMK2D (0.49) CAMK2DKCNH2BCHEACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D CAMK2D 6/4885KCNH2 388/4885ALDH1A1 1512/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CAMK2D 6/4885KCNH2 388/4885ALDH1A1 1512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.